CID 4712468

1-(3-aminopropyl)piperidin-4-ol

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

C1CN(CCC1O)CCCN

InChI

InChI=1S/C8H18N2O/c9-4-1-5-10-6-2-8(11)3-7-10/h8,11H,1-7,9H2

InChIKey

BNUCAKHAFXRILR-UHFFFAOYSA-N

Compound name

1-(3-aminopropyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 158.1419 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.14918	136.3
[M+Na]+	181.13112	145.2
[M+NH4]+	176.17572	144.1
[M+K]+	197.10506	139.8
[M-H]-	157.13462	137.4
[M+Na-2H]-	179.11657	140.0
[M]+	158.14135	137.5
[M]-	158.14245	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe